CID 101714000

Details

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Internal ID a3fcb268-b145-4ce0-8737-c06e9de681b7
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
IUPAC Name
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H30O10/c1-14(25)31-13-23-18(33-15(2)26)10-20(3,28)22(24(23,29)7-4-6-21(23)12-32-21)9-17(34-19(22)27)16-5-8-30-11-16/h5,8,11,17-18,28-29H,4,6-7,9-10,12-13H2,1-3H3/t17-,18-,20-,21-,22+,23-,24-/m0/s1
InChI Key PLNVNTKQZPPADC-BCFZOUMYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H30O10
Molecular Weight 478.50 g/mol
Exact Mass 478.18389715 g/mol
Topological Polar Surface Area (TPSA) 145.00 Ų
XlogP -0.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of CID 101714000

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.80% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.98% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.43% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.42% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.18% 97.25%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.18% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.25% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.56% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.83% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.80% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.59% 100.00%
CHEMBL3922 P50579 Methionine aminopeptidase 2 85.90% 97.28%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.25% 99.23%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.12% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.83% 95.89%
CHEMBL4208 P20618 Proteasome component C5 82.78% 90.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.56% 91.07%
CHEMBL2581 P07339 Cathepsin D 82.34% 98.95%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 81.86% 95.71%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.34% 92.62%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Teucrium sandrasicum

Cross-Links

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PubChem 101714000
LOTUS LTS0137001
wikiData Q105211063